N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-2-(oxan-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoranyl-3-methyl-2-(oxan-4-yl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-tetrahydropyran-4-yl-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-(4-oxanyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-(oxan-4-yl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-1-keto-3-methyl-2-tetrahydropyran-4-yl-isoquinoline-4-carboxamide Formula: C27H28F2N2O3 MolecularWeight: 466.519626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1C3CCOCC3)C(=O)NC(C4CCC4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(C(=CC=C2)F)C(=O)N1C3CCOCC3)C(=O)N[C@@H](C4CCC4)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H28F2N2O3/c1-16-23(26(32)30-25(17-5-2-6-17)18-7-3-8-19(28)15-18)21-9-4-10-22(29)24(21)27(33)31(16)20-11-13-34-14-12-20/h3-4,7-10,15,17,20,25H,2,5-6,11-14H2,1H3,(H,30,32)/t25-/m0/s1